4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N,N-dimethylaniline
Chemical Structure Depiction of
4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N,N-dimethylaniline
4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N,N-dimethylaniline
Compound characteristics
| Compound ID: | Y205-6624 |
| Compound Name: | 4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N,N-dimethylaniline |
| Molecular Weight: | 358.89 |
| Molecular Formula: | C18 H19 Cl N4 S |
| Smiles: | CN(C)c1ccc(cc1)c1nnc(n1C)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2241 |
| logD: | 4.224 |
| logSw: | -4.5835 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.8555 |
| InChI Key: | XNMDOMSYGDUYRC-UHFFFAOYSA-N |